CID 237967

3-amino-n-benzylpropanamide hydrochloride

Structural Information

Molecular Formula
C10H14N2O
SMILES
C1=CC=C(C=C1)CNC(=O)CCN
InChI
InChI=1S/C10H14N2O/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8,11H2,(H,12,13)
InChIKey
HUJKQHPTZJRELA-UHFFFAOYSA-N
Compound name
3-amino-N-benzylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

178.11061 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.4
[M+Na]+ 201.09983 144.8
[M-H]- 177.10333 142.2
[M+NH4]+ 196.14443 158.5
[M+K]+ 217.07377 142.5
[M+H-H2O]+ 161.10787 132.8
[M+HCOO]- 223.10881 164.5
[M+CH3COO]- 237.12446 184.8
[M+Na-2H]- 199.08528 145.4
[M]+ 178.11006 137.2
[M]- 178.11116 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe